(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate

C9H14F3NO2 — CID 161046142

IUPAC(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-8(2)3-5-13(6-4-8)15-7(14)9(10,11)12/h3-6H2,1-2H3
InChIKeyUBNGKQDETMZDQI-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.13
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate

(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate (PubChem CID 161046142) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate
PubChem CID161046142
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate
SMILESCC1(C)CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-8(2)3-5-13(6-4-8)15-7(14)9(10,11)12/h3-6H2,1-2H3
InChIKeyUBNGKQDETMZDQI-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Ethylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468111
1-Hydroxy-4-(trifluoromethyl)piperidine;2,2,2-trifluoroacetic acid
CID 22061292
(1-Methylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468105
(1-Propylpiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 57468112
(4,4-Difluoropiperidin-1-yl) acetate
CID 66968438
[4-(Difluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 68758254
(4-Methoxy-4-methylpiperidin-1-yl) 2,2,2-trifluoroacetate
CID 69043204
[4-(Methoxymethyl)-4-methylpiperidin-1-yl] 2,2,2-trifluoroacetate
CID 69487812
[4-[(Dimethylamino)methyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69796799
[4-[2-(Dimethylamino)ethyl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69796850
[4-(Trifluoromethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 85842500
(4-Methyl-1-oxidopiperidin-1-ium-1-yl) 2,2,2-trifluoroacetate
CID 87894400

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate (CID 161046142) is (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate is CC1(C)CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate?
The InChIKey is UBNGKQDETMZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(2)3-5-13(6-4-8)15-7(14)9(10,11)12/h3-6H2,1-2H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate?
(4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate has a molecular weight of 225.21 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 161046142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).